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Compound Detail

CHEMBL3558280

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CN(C)c1ccc2nc3ccc(N)cc3[s+]c2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3558280
Phase Preclinical
Structure Type MOL
InChI Key FXONXBFTEMLSRZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

256.4
MW (Da)
3.38
ALogP
3
HBA
1
HBD
42.1
PSA (Ų)
0.41
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H14N3S+
MW 256.35
Aromatic Rings 3
Heavy Atoms 18
NP-Likeness -0.60

Data from ChEMBL 36 via Core Engine